(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one

C132H156N14O16S8 — CID 158424565

About (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one

(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one (PubChem CID 158424565) has the molecular formula C132H156N14O16S8 and a molecular weight of 2451.32 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one
• PubChem CID: 158424565
• Molecular Formula: C132H156N14O16S8
• Molecular Weight: 2451.32 g/mol
• Exact Mass: 2448.96
• IUPAC Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one
• SMILES: Cc1csc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)n1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)co1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)cs1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)cs1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2ccccc2)C(C)C)cc1
• InChI: InChI=1S/C28H32N2O3S.C26H31N3O4S.3C26H31N3O3S2/c1-18(2)26(21-7-5-4-6-8-21)28(33)30-16-23(31)15-24(30)25(32)14-11-20-9-12-22(13-10-20)27-19(3)29-17-34-27;3*1-15(2)24(21-13-33-17(4)28-21)26(32)29-12-20(30)11-22(29)23(31)10-7-18-5-8-19(9-6-18)25-16(3)27-14-34-25;1-15(2)23(25-28-16(3)13-33-25)26(32)29-12-20(30)11-21(29)22(31)10-7-18-5-8-19(9-6-18)24-17(4)27-14-34-24/h4-10,12-13,17-18,23-24,26,31H,11,14-16H2,1-3H3;3*5-6,8-9,13-15,20,22,24,30H,7,10-12H2,1-4H3;5-6,8-9,13-15,20-21,23,30H,7,10-12H2,1-4H3/t23-,24+,26-;3*20-,22+,24-;20-,21+,23-/m11111/s1
• InChIKey: HAWWCSXFXUIYBW-DKAHTECOSA-N
• XLogP: 23.70
• TPSA: 417.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.32
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one?

The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one (CID 158424565) is (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one.

What is the SMILES notation for (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one?

The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one is Cc1csc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)n1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)co1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)cs1.Cc1nc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)cs1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2ccccc2)C(C)C)cc1.

What is the InChIKey of (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one?

The InChIKey is HAWWCSXFXUIYBW-DKAHTECOSA-N. The full InChI is InChI=1S/C28H32N2O3S.C26H31N3O4S.3C26H31N3O3S2/c1-18(2)26(21-7-5-4-6-8-21)28(33)30-16-23(31)15-24(30)25(32)14-11-20-9-12-22(13-10-20)27-19(3)29-17-34-27;3*1-15(2)24(21-13-33-17(4)28-21)26(32)29-12-20(30)11-22(29)23(31)10-7-18-5-8-19(9-6-18)25-16(3)27-14-34-25;1-15(2)23(25-28-16(3)13-33-25)26(32)29-12-20(30)11-21(29)22(31)10-7-18-5-8-19(9-6-18)24-17(4)27-14-34-24/h4-10,12-13,17-18,23-24,26,31H,11,14-16H2,1-3H3;3*5-6,8-9,13-15,20,22,24,30H,7,10-12H2,1-4H3;5-6,8-9,13-15,20-21,23,30H,7,10-12H2,1-4H3/t23-,24+,26-;3*20-,22+,24-;20-,21+,23-/m11111/s1.

What are the key properties of (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one?

(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one has a molecular weight of 2451.32 g/mol, XLogP of 23.70, 40 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-oxazol-4-yl)butan-1-one;bis((2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(2-methyl-1,3-thiazol-4-yl)butan-1-one);(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one is sourced from PubChem (CID 158424565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).